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(2S)-6-amino-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]hexanoic acid methyl ester
SpectraBase Compound ID KfCHftOEPwg
InChI InChI=1S/C21H33N3O5/c1-21(2,3)29-20(27)24-17(14-15-10-6-5-7-11-15)18(25)23-16(19(26)28-4)12-8-9-13-22/h5-7,10-11,16-17H,8-9,12-14,22H2,1-4H3,(H,23,25)(H,24,27)/t16-,17-/m0/s1
InChIKey IZEBOGHAECIPHW-IRXDYDNUSA-N
Mol Weight 407.5 g/mol
Molecular Formula C21H33N3O5
Exact Mass 407.242021 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E1EANKKGzeb
Name (2S)-6-amino-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]hexanoic acid methyl ester
Alternate Name(s) (2S)-6-amino-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]hexanoic acid methyl ester Methyl (2S)-6-amino-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]hexanoate Methyl (2S)-6-azanyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]hexanoate
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Formula C21H33N3O5
InChI InChI=1S/C21H33N3O5/c1-21(2,3)29-20(27)24-17(14-15-10-6-5-7-11-15)18(25)23-16(19(26)28-4)12-8-9-13-22/h5-7,10-11,16-17H,8-9,12-14,22H2,1-4H3,(H,23,25)(H,24,27)/t16-,17-/m0/s1
InChIKey IZEBOGHAECIPHW-IRXDYDNUSA-N
Molecular Weight 407.511 g/mol
SMILES N(C([C@@](NC(OC(C)(C)C)=O)(Cc1ccccc1)[H])=O)[C@@](CCCCN)(C(=O)OC)[H]
SPLASH splash10-00xr-3904000000-5a9f9cc529033605b7e6
Source of Spectrum HE-1999-964-3
Wiley ID 1613529